Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: USPP Element: Rh Functional: PBESOL Suggested minimum cutoff for wavefunctions: 40. Ry Suggested minimum cutoff for charge density: 439. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.3000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 4S 1 0 2.00 1.300 1.700 -6.051204 5S 2 0 1.00 1.100 1.700 -0.317450 4P 2 1 2.00 1.500 1.700 -3.895224 4P 2 1 4.00 1.500 1.700 -3.607511 5P 3 1 0.00 1.100 2.100 -0.064087 5P 3 1 0.00 1.100 2.100 -0.055933 4D 3 2 4.00 1.700 1.900 -0.452666 4D 3 2 4.00 1.700 1.900 -0.423871 Generation configuration: 4S 1 0 2.00 1.300 1.700 -6.051204 5S 2 0 1.00 1.100 1.700 -0.317449 5S 2 0 0.00 1.100 1.700 6.300000 4P 2 1 2.00 1.500 1.700 -3.895224 4P 2 1 4.00 1.500 1.700 -3.607511 5P 3 1 0.00 1.100 2.100 -0.064089 5P 3 1 0.00 1.100 2.100 -0.055933 4D 3 2 4.00 1.700 1.900 -0.452666 4D 3 2 4.00 1.700 1.900 -0.423870 4D 3 2 -2.00 1.000 1.900 0.300000 4D 3 2 0.00 1.000 1.900 0.300000 Pseudization used: troullier-martins title='Rh', zed=45., rel=2, config='[Kr] 4d8. 5s1.0 5p0.0', iswitch=3, dft='PBESOL' / &inputp pseudotype=3, file_pseudopw='Rh.rel-pbesol-spn-rrkjus_psl.0.2.3.UPF', author='ADC', lloc=-1, rcloc=2.3, which_augfun='PSQ', rmatch_augfun=0.9, nlcc=.true., new_core_ps=.true., rcore=0.9, tm=.true. / 7 4S 1 0 2.00 0.00 1.30 1.70 0.0 5S 2 0 1.00 0.00 1.10 1.70 0.0 5S 2 0 0.00 6.30 1.10 1.70 0.0 4P 2 1 6.00 0.00 1.50 1.70 0.0 5P 3 1 0.00 0.00 1.10 2.10 0.0 4D 3 2 8.00 0.00 1.70 1.90 0.0 4D 3 2 -2.00 0.30 1.00 1.90 0.0 2.026404367898925E-005 2.051893397042272E-005 2.077703038703516E-005 2.103837325691676E-005 2.130300341542266E-005 2.157096221155353E-005 2.184229151441642E-005 2.211703371976692E-005 2.239523175663357E-005 2.267692909402566E-005 2.296216974772527E-005 2.325099828716486E-005 2.354345984239134E-005 2.383960011111771E-005 2.413946536586351E-005 2.444310246118485E-005 2.475055884099563E-005 2.506188254598072E-005 2.537712222110239E-005 2.569632712320128E-005 2.601954712869276E-005 2.634683274136029E-005 2.667823510024669E-005 2.701380598764477E-005 2.735359783718847E-005 2.769766374204554E-005 2.804605746321366E-005 2.839883343792054E-005 2.875604678812996E-005 2.911775332915467E-005 2.948400957837759E-005 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